(E)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-[1-(1-naphthylsulfonyl)indol-3-yl]prop-2-en-1-one CAS Name: (E)-3-[1-(1-naphthalenylsulfonyl)-3-indolyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(1-naphthalen-1-ylsulfonylindol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-[1-(1-naphthylsulfonyl)indol-3-yl]prop-2-en-1-one Formula: C33H31N3O3S MolecularWeight: 549.68254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C=CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C33H31N3O3S/c37-33(35-21-9-20-34(22-23-35)24-26-10-2-1-3-11-26)19-18-28-25-36(31-16-7-6-14-29(28)31)40(38,39)32-17-8-13-27-12-4-5-15-30(27)32/h1-8,10-19,25H,9,20-24H2/b19-18+