N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N\NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H32N4O3S/c1-17(2)16-27-18(3)13-21(19(27)4)15-24-25-23(28)20-9-8-10-22(14-20)31(29,30)26-11-6-5-7-12-26/h8-10,13-15,17H,5-7,11-12,16H2,1-4H3,(H,25,28)/b24-15-