azepan-1-yl-[1,2,5-trimethyl-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyrrol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1,2,5-trimethyl-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-[(4-benzyl-1-piperidyl)sulfonyl]-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[1,2,5-trimethyl-4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-(4-benzylpiperidin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-(4-benzylpiperidino)sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H37N3O3S/c1-20-24(26(30)28-15-9-4-5-10-16-28)25(21(2)27(20)3)33(31,32)29-17-13-23(14-18-29)19-22-11-7-6-8-12-22/h6-8,11-12,23H,4-5,9-10,13-19H2,1-3H3