N-(3-imidazol-1-ylpropyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-[(2-methoxyphenyl)methylamino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(o-anisylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1CNC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N5O4S/c1-34-24-8-3-2-7-20(24)18-28-22-15-21(25(31)27-9-6-11-29-14-10-26-19-29)16-23(17-22)35(32,33)30-12-4-5-13-30/h2-3,7-8,10,14-17,19,28H,4-6,9,11-13,18H2,1H3,(H,27,31)