2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-methylpropyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-methylpropyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]ethanamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-isobutyl-amino]-N-cyclohexyl-acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(2-methylpropyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]acetamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-(2-methylpropyl)amino]-N-cyclohexylacetamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-isobutyl-amino]-N-cyclohexyl-acetamide Formula: C30H37ClN4O5S MolecularWeight: 601.15658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H37ClN4O5S/c1-23(2)19-33(41(39,40)27-15-16-28(31)29(18-27)35(37)38)22-30(36)34(25-12-7-4-8-13-25)21-26-14-9-17-32(26)20-24-10-5-3-6-11-24/h3,5-6,9-11,14-18,23,25H,4,7-8,12-13,19-22H2,1-2H3