[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: [3-(1-piperidylsulfonyl)-2-thienyl]-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(3-piperidinosulfonyl-2-thienyl)methanone Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H31N3O3S2/c1-19-6-8-20(9-7-19)18-24-11-5-12-25(16-15-24)23(27)22-21(10-17-30-22)31(28,29)26-13-3-2-4-14-26/h6-10,17H,2-5,11-16,18H2,1H3