N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C26H30N4O6S2 MolecularWeight: 558.6696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C26H30N4O6S2/c1-17(2)14-20(28-26(33)23-15-18-8-3-4-10-22(18)37-23)25(32)27-19-9-7-12-29(16-21(19)31)38(35,36)24-11-5-6-13-30(24)34/h3-6,8,10-11,13,15,17,19-20H,7,9,12,14,16H2,1-2H3,(H,27,32)(H,28,33)/t19?,20-/m0/s1