N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(cyclohexylmethyl)-2-[[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[3-cyclohexyl-1-[[(4S)-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-cyclohexyl-1-[[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]amino]ethyl]thiophene-2-carboxamide Formula: C25H32N4O6S2 MolecularWeight: 548.67478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H32N4O6S2/c30-21-17-28(37(34,35)23-12-4-5-14-29(23)33)13-6-10-19(21)26-24(31)20(16-18-8-2-1-3-9-18)27-25(32)22-11-7-15-36-22/h4-5,7,11-12,14-15,18-20H,1-3,6,8-10,13,16-17H2,(H,26,31)(H,27,32)/t19-,20?/m0/s1