N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1H-indole-5-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]-1H-indole-5-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]-1H-indole-5-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]-1H-indole-5-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]-1H-indole-5-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]-1H-indole-5-carboxamide Formula: C26H31N5O6S MolecularWeight: 541.61924

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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=C(C=C3)NC=C4

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=C(C=C3)NC=C4

InChI

InChI=1S/C26H31N5O6S/c1-17(2)14-22(29-25(33)19-8-9-20-18(15-19)10-11-27-20)26(34)28-21-6-5-12-30(16-23(21)32)38(36,37)24-7-3-4-13-31(24)35/h3-4,7-11,13,15,17,21-22,27H,5-6,12,14,16H2,1-2H3,(H,28,34)(H,29,33)/t21?,22-/m0/s1