1-[2-(4-methylpiperidin-4-yl)ethylsulfonyl]-3-(phenylmethyl)-1,4-benzodiazepine

Systemtic Name: 1-[2-(4-methylpiperidin-4-yl)ethylsulfonyl]-3-(phenylmethyl)-1,4-benzodiazepine Openeye Name: 3-benzyl-1-[2-(4-methyl-4-piperidyl)ethylsulfonyl]-1,4-benzodiazepine CAS Name: 1-[2-(4-methyl-4-piperidinyl)ethylsulfonyl]-3-(phenylmethyl)-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-[2-(4-methylpiperidin-4-yl)ethylsulfonyl]-1,4-benzodiazepine Traditional Name: 3-benzyl-1-[2-(4-methyl-4-piperidyl)ethylsulfonyl]-1,4-benzodiazepine Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCNCC1)CCS(=O)(=O)N2C=C(N=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1(CCNCC1)CCS(=O)(=O)N2C=C(N=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c1-24(11-14-25-15-12-24)13-16-30(28,29)27-19-22(17-20-7-3-2-4-8-20)26-18-21-9-5-6-10-23(21)27/h2-10,18-19,25H,11-17H2,1H3