1-[5-azanyl-6-methyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[5-azanyl-6-methyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[5-amino-1-(benzenesulfonyl)-6-methyl-indol-2-yl]-3-(1-benzyl-4-piperidyl)propan-1-one CAS Name: 1-[5-amino-1-(benzenesulfonyl)-6-methyl-2-indolyl]-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[5-amino-1-(benzenesulfonyl)-6-methylindol-2-yl]-3-(1-benzylpiperidin-4-yl)propan-1-one Traditional Name: 1-(5-amino-1-besyl-6-methyl-indol-2-yl)-3-(1-benzyl-4-piperidyl)propan-1-one Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(N(C2=C1)S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5)N

Isomeric SMILES

CC1=C(C=C2C=C(N(C2=C1)S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5)N

InChI

InChI=1S/C30H33N3O3S/c1-22-18-28-25(19-27(22)31)20-29(33(28)37(35,36)26-10-6-3-7-11-26)30(34)13-12-23-14-16-32(17-15-23)21-24-8-4-2-5-9-24/h2-11,18-20,23H,12-17,21,31H2,1H3